3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione

C14H15FN2S — CID 22428575

IUPAC3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
SMILESFc1cccc(C2=NC3(CCCCC3)NC2=S)c1
InChIInChI=1S/C14H15FN2S/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyTVHKGLSZVDKVJQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.21
Rot. Bonds1

About 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione

3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione (PubChem CID 22428575) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
PubChem CID22428575
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
SMILESFc1cccc(C2=NC3(CCCCC3)NC2=S)c1
InChIInChI=1S/C14H15FN2S/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18)
InChIKeyTVHKGLSZVDKVJQ-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-Fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151521
3-Phenyl-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 16188812
2-isobutyl-2-methyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 6621596
3-Phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005139
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005148
2,2-diethyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 16188074
3-(4-Methylphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 16188813
8-Ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151523
3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 6621526
3-(4-Methylphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 12005149
8-Ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 22424120
Methyl trifluoromethyl phenyl 2-thiopyrimidine
CID 129845929

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione?
The IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione (CID 22428575) is 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione.
What is the SMILES notation for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione?
The canonical SMILES for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione is Fc1cccc(C2=NC3(CCCCC3)NC2=S)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione?
The InChIKey is TVHKGLSZVDKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-11-6-4-5-10(9-11)12-13(18)17-14(16-12)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione?
3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione has a molecular weight of 262.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione is sourced from PubChem (CID 22428575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).